2P8G

Crystal structure of phenolic acid decarboxylase (2635953) from Bacillus subtilis at 1.36 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 41 3 2
Unit cell lengths	117.475, 117.475, 117.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.722 - 1.360
R-factor	0.134
Rwork	0.133
R-free	0.14600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cg9
RMSD bond length	0.015
RMSD bond angle	1.489
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.722	83.040	1.430
High resolution limit [Å]	1.360	4.300	1.360
Rmerge	0.107	0.010	0.010
Total number of observations		43824	67532
Number of reflections	59580
<I/σ(I)>	5.6	14.4	0.7
Completeness [%]	99.6	100	97.4
Redundancy	18.2	20.4	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277	NANODROP, 0.2M NaCl, 10.0% PEG 8000, 1.0M LiCl, 20.0% PEG 6000, 0.1M Na,K Phosphate pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K