4XIX

Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with phosphate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.984
Spacegroup name	P 32 2 1
Unit cell lengths	138.957, 138.957, 202.807
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.452 - 2.700
R-factor	0.1601
Rwork	0.156
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xiw
RMSD bond length	0.017
RMSD bond angle	1.560
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.150	0.841
Number of reflections	62714
<I/σ(I)>	10.3	2.4
Completeness [%]	99.9	99.7
Redundancy	8.4	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.1	291	The protein solution (3.6 mg/mL) was mixed 1:1 with the reservoir that contained 2.5 M NH4H2PO4, 0.1 M Tris-HCl, pH 8.0. The final pH of the drop was 4.1.