2W4D

Acylphosphatase variant G91A from Pyrococcus horikoshii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	2005-07-20
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 21 21 2
Unit cell lengths	87.375, 153.526, 46.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.440 - 2.400
R-factor	0.227
Rwork	0.227
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w2i
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	d*TREK
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.180	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.070	0.200
Number of reflections	24753
<I/σ(I)>	10.7	4.2
Completeness [%]	98.9	97.5
Redundancy	2.92	2.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		7.9MG/ML PROTEIN, 0.6M NA/K GRID SCREEN, PH8.5, CRYOPROTECTANT: 25% GLYCEROL