4QQ8

Crystal structure of the formolase FLS in space group P 43 21 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-22
Detector	RIGAKU SATURN 70
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	144.742, 144.742, 269.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	127.520 - 2.880
R-factor	0.17054
Rwork	0.169
R-free	0.19874
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ago
RMSD bond length	0.012
RMSD bond angle	1.484
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (MR)
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	127.520	3.100	2.980
High resolution limit [Å]	2.880	2.980	2.880
Number of reflections	64154
<I/σ(I)>	9.96	2.51	2.11
Completeness [%]	97.9	95.5	95.1
Redundancy	5.8	5	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	14 to 16 % PEG3000, 100 mM TrisHCl, 150 mM Calcium acetate., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K