4Y2W

Crystal structure of a thermostable alanine racemase from Thermoanaerobacter tengcongensis MB4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-04-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	60.843, 73.077, 218.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.2155
Rwork	0.214
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sft
RMSD bond length	0.004
RMSD bond angle	0.986
Data reduction software	HKL-2000 (HKL-2000)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.073	0.261
Number of reflections	26832
<I/σ(I)>	7.3	2.7
Completeness [%]	96.6	83.4
Redundancy	5.2	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	22% PEG 4000, 0.1M Bis-Tris pH7.0